This thread is locked.Only browsing is available.
Top Page > Browsing
out-put vizualisation
Date: 2011/07/28 14:59
Name: sanjeev   <>

Dear all user,

I am trying to visualise the out put of homo lumo for a sample file given in openmx sample test. what is going wrong is that when we load the homo or lumo file in xcrysden,molekel or ghemical, it only shows the atom, it does not show the homo or lumo. I am using the the input file, Methane.dat given in openmx sample with just a change given below

MO.fileout on # on|off
num.HOMOs 1 # default=1
num.LUMOs 1 # default=1
MO.Nkpoint 1 # default=1
0.0 0.0 0.0

despite many efforts I could not solve this problem. However with above input description I am getting homo lumo files. And I have tried all the above graphical packages.

thanking in advance
Page: [1]

Re: out-put vizualisation ( No.1 )
Date: 2011/07/30 00:42
Name: T.Ozaki


In case of XCrysDen, after reading a cube file, open 'Tool' and 'Data Grid', and
set parameters on 'Isosurface/Property-plane' controls.



Page: [1]